نتایج جستجو برای: interfacial energy
تعداد نتایج: 684487 فیلتر نتایج به سال:
Energy dissipation chemical force microscopy has been used to analyze the dissipative properties of chemically similar regions of hydroxyl- and carboxyl-terminated SAMs on gold with a hydroxyl-terminated tip. Energy dissipation imaging quantitatively isolates dissipative interfacial interactions from topography, producing a significantly more informative image than phase imaging. Also, energy d...
Calculation of the crystal-melt interfacial free energy of succinonitrile from molecular simulation.
The crystal-metal interfacial free energy for a six-site model of succinonitrile [N triple bond C-(CH(2))(2)-C triple bond N] has been calculated using molecular-dynamics simulation from the power spectrum of capillary fluctuations in interface position. The orientationally averaged magnitude of the interfacial free energy is determined to be (7.0+/-0.4)x10(-3) J m(-2). This value is in agreeme...
This review is concerned primarily with the correlation between the interfacial interactions and the constitutive properties of low-energy organic surfaces. It starts with a discussion on the estimation of the surface free energy of organic solids from contact angles, followed by a review of the surface energetics and adhesion. The experimental measurements of surface free energy, in most cases...
Dissolution of a solute molecule into a solvent necessitates the creation of a cavity devoid of solvent molecules. The cavity solvation free energy is exactly known at both very small and large length scales, but in between it can only be estimated by various approximations. Guided by simulation results for the solvation of small cavities and density functional theory, we analyze the size depen...
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equilibrium conditions at which the interfacial free energy is ill-defined. Here we draw a connection between the atomistic description of a diffus...
چکیده ندارد.
the kinetic of the heterogeneous chemical reaction of aluminum hydroxide and fluosilicic acid was studied. it was found that the diffusion of the reactants through the porous silica coating to the aluminum hydroxide surface and the interfacial chemical reaction between the diffusing reactant and aluminum hydroxide platelets control the overall reaction rate. these two phenomena were studied and...
We present a model to investigate the formation of surface patterns in biological materials through the interaction of anisotropic interfacial tension, bending elasticity, and capillarity at their free surfaces. Focusing on the cholesteric liquid crystal (CLC) material model, the generalized shape equation for anisotropic interfaces using the Rapini-Papoular anchoring and Helfrich free energies...
We study the phase behavior and the interfacial tension of the screened Coulomb (Yukawa) restricted primitive model (YRPM) of oppositely charged hard spheres with diameter sigma using Monte Carlo simulations. We determine the gas-liquid and gas-solid phase transitions using free energy calculations and grand-canonical Monte Carlo simulations for varying inverse Debye screening length kappa. We ...
A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of 0.66k(B)T/σ(2) with a small anisotropy of about 0.0...
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